#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:11:35 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179779 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/75/7007547.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7007547
loop_
_publ_author_name
'Cai, Shuyi'
'Hou, Xiu-Feng'
'Chen, Yin-Qiang'
'Jin, Guo-Xin'
_publ_section_title
;
 Synthesis and structure of heterometallic complexes (RhFe, CoFe)
 containing bridging
 1,2-dicarba-closo-dodecarborane-1,2-dichalcogenolato ligands.
;
_journal_issue                   31
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3736
_journal_page_last               3741
_journal_paper_doi               10.1039/b607195c
_journal_year                    2006
_chemical_formula_sum            'C15 H25 B10 Fe O3 Rh Se2'
_chemical_formula_weight         678.13
_chemical_name_systematic
;
?
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   18.114(5)
_cell_length_b                   13.980(4)
_cell_length_c                   19.704(5)
_cell_measurement_reflns_used    614
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      19.264
_cell_measurement_theta_min      2.679
_cell_volume                     4990(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1152
_diffrn_reflns_av_sigmaI/netI    0.1992
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            18611
_diffrn_reflns_theta_full        26.01
_diffrn_reflns_theta_max         26.01
_diffrn_reflns_theta_min         2.07
_diffrn_standards_decay_%        4.92
_exptl_absorpt_coefficient_mu    4.177
_exptl_absorpt_correction_T_max  0.8183
_exptl_absorpt_correction_T_min  0.5731
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.805
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2624
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.701
_refine_diff_density_min         -0.453
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.588
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         4913
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.588
_refine_ls_R_factor_all          0.1203
_refine_ls_R_factor_gt           0.0354
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0039P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0429
_refine_ls_wR_factor_ref         0.0518
_reflns_number_gt                1906
_reflns_number_total             4913
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b607195c.txt
_cod_data_source_block           f51102d
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      Pbca
_cod_database_code               7007547
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.40015(2) 0.24559(4) 0.15522(3) 0.03928(14) Uani 1 1 d . . .
Se1 Se 0.37418(3) 0.19517(5) 0.03889(3) 0.03949(18) Uani 1 1 d . . .
Se2 Se 0.44025(3) 0.39063(5) 0.09707(4) 0.04427(19) Uani 1 1 d . . .
Fe1 Fe 0.49846(5) 0.24302(8) 0.06261(4) 0.0458(3) Uani 1 1 d . . .
O1 O 0.6168(2) 0.2962(4) 0.1539(3) 0.0765(17) Uani 1 1 d . . .
O2 O 0.5275(2) 0.0406(4) 0.0818(3) 0.0878(19) Uani 1 1 d . . .
O3 O 0.5747(2) 0.2658(4) -0.0679(2) 0.0843(19) Uani 1 1 d . . .
C3 C 0.5701(4) 0.2750(5) 0.1163(4) 0.061(2) Uani 1 1 d . . .
C4 C 0.5168(3) 0.1231(5) 0.0732(4) 0.056(2) Uani 1 1 d . . .
C5 C 0.5433(3) 0.2603(6) -0.0182(4) 0.062(2) Uani 1 1 d . . .
C6 C 0.3715(4) 0.1272(5) 0.2192(3) 0.0422(18) Uani 1 1 d . . .
C7 C 0.4366(4) 0.1692(5) 0.2468(3) 0.048(2) Uani 1 1 d . . .
C8 C 0.4200(4) 0.2646(5) 0.2635(3) 0.0448(19) Uani 1 1 d . . .
C9 C 0.3424(4) 0.2807(5) 0.2488(3) 0.051(2) Uani 1 1 d . . .
C10 C 0.3129(4) 0.1954(6) 0.2230(3) 0.046(2) Uani 1 1 d . . .
C11 C 0.3635(3) 0.0266(4) 0.1974(3) 0.063(2) Uani 1 1 d . . .
H9A H 0.3610 -0.0140 0.2367 0.094 Uiso 1 1 calc R . .
H9B H 0.4052 0.0086 0.1702 0.094 Uiso 1 1 calc R . .
H9C H 0.3190 0.0197 0.1713 0.094 Uiso 1 1 calc R . .
C12 C 0.5077(3) 0.1188(5) 0.2610(3) 0.068(2) Uani 1 1 d . . .
H10A H 0.5477 0.1638 0.2591 0.102 Uiso 1 1 calc R . .
H10B H 0.5153 0.0696 0.2278 0.102 Uiso 1 1 calc R . .
H10C H 0.5057 0.0906 0.3054 0.102 Uiso 1 1 calc R . .
C13 C 0.4718(3) 0.3355(4) 0.2968(3) 0.072(2) Uani 1 1 d . . .
H11A H 0.4705 0.3271 0.3451 0.108 Uiso 1 1 calc R . .
H11B H 0.4567 0.3994 0.2857 0.108 Uiso 1 1 calc R . .
H11C H 0.5212 0.3249 0.2807 0.108 Uiso 1 1 calc R . .
C14 C 0.3024(4) 0.3731(5) 0.2641(3) 0.081(3) Uani 1 1 d . . .
H12A H 0.2570 0.3751 0.2390 0.121 Uiso 1 1 calc R . .
H12B H 0.3329 0.4262 0.2512 0.121 Uiso 1 1 calc R . .
H12C H 0.2919 0.3765 0.3118 0.121 Uiso 1 1 calc R . .
C15 C 0.2323(3) 0.1800(5) 0.2090(3) 0.078(3) Uani 1 1 d . . .
H13A H 0.2087 0.1554 0.2490 0.117 Uiso 1 1 calc R . .
H13B H 0.2268 0.1350 0.1726 0.117 Uiso 1 1 calc R . .
H13C H 0.2100 0.2397 0.1966 0.117 Uiso 1 1 calc R . .
C1 C 0.3301(3) 0.3107(4) -0.0001(3) 0.0366(17) Uani 1 1 d . . .
C2 C 0.3617(3) 0.4093(4) 0.0300(3) 0.0396(18) Uani 1 1 d . . .
B3 B 0.2736(4) 0.3749(6) 0.0532(4) 0.043(2) Uani 1 1 d . . .
B4 B 0.2369(4) 0.3180(6) -0.0173(4) 0.043(2) Uani 1 1 d . . .
B5 B 0.3034(5) 0.3235(6) -0.0824(4) 0.046(2) Uani 1 1 d . . .
B6 B 0.3825(4) 0.3808(6) -0.0526(4) 0.043(2) Uani 1 1 d . . .
B7 B 0.2940(5) 0.4937(6) 0.0357(5) 0.051(2) Uani 1 1 d . . .
B8 B 0.2127(5) 0.4375(6) 0.0041(4) 0.048(2) Uani 1 1 d . . .
B9 B 0.2298(5) 0.4057(6) -0.0814(4) 0.049(2) Uani 1 1 d . . .
B10 B 0.3214(5) 0.4432(6) -0.1021(5) 0.055(3) Uani 1 1 d . . .
B11 B 0.3612(5) 0.4985(6) -0.0301(4) 0.046(2) Uani 1 1 d . . .
B12 B 0.2668(5) 0.5148(6) -0.0486(4) 0.054(3) Uani 1 1 d . . .
H1 H 0.266(2) 0.347(3) 0.101(2) 0.024(15) Uiso 1 1 d . . .
H2 H 0.205(2) 0.245(4) -0.007(2) 0.051(17) Uiso 1 1 d . . .
H3 H 0.3140(19) 0.267(3) -0.1129(19) 0.011(13) Uiso 1 1 d . . .
H4 H 0.438(2) 0.363(3) -0.066(2) 0.028(15) Uiso 1 1 d . . .
H5 H 0.299(2) 0.545(3) 0.072(2) 0.029(16) Uiso 1 1 d . . .
H6 H 0.152(2) 0.450(3) 0.020(2) 0.044(17) Uiso 1 1 d . . .
H7 H 0.187(2) 0.413(4) -0.121(2) 0.059(19) Uiso 1 1 d . . .
H8 H 0.344(2) 0.472(3) -0.145(2) 0.035(18) Uiso 1 1 d . . .
H9 H 0.410(2) 0.552(4) -0.023(2) 0.056(18) Uiso 1 1 d . . .
H10 H 0.256(2) 0.589(4) -0.056(2) 0.053(19) Uiso 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C6 Rh1 C9 63.9(2) . . ?
C6 Rh1 C8 63.8(2) . . ?
C9 Rh1 C8 39.0(2) . . ?
C6 Rh1 C10 38.5(2) . . ?
C9 Rh1 C10 37.5(2) . . ?
C8 Rh1 C10 63.9(2) . . ?
C6 Rh1 C7 38.3(2) . . ?
C9 Rh1 C7 63.8(2) . . ?
C8 Rh1 C7 37.5(2) . . ?
C10 Rh1 C7 63.9(2) . . ?
C6 Rh1 Se2 171.78(18) . . ?
C9 Rh1 Se2 110.72(19) . . ?
C8 Rh1 Se2 108.00(19) . . ?
C10 Rh1 Se2 140.3(2) . . ?
C7 Rh1 Se2 134.4(2) . . ?
C6 Rh1 Se1 106.38(18) . . ?
C9 Rh1 Se1 140.1(2) . . ?
C8 Rh1 Se1 170.05(19) . . ?
C10 Rh1 Se1 109.98(18) . . ?
C7 Rh1 Se1 133.4(2) . . ?
Se2 Rh1 Se1 81.75(3) . . ?
C6 Rh1 Fe1 125.36(18) . . ?
C9 Rh1 Fe1 161.0(2) . . ?
C8 Rh1 Fe1 125.93(17) . . ?
C10 Rh1 Fe1 159.7(2) . . ?
C7 Rh1 Fe1 111.73(19) . . ?
Se2 Rh1 Fe1 57.84(3) . . ?
Se1 Rh1 Fe1 57.26(3) . . ?
C1 Se1 Fe1 103.25(17) . . ?
C1 Se1 Rh1 102.03(18) . . ?
Fe1 Se1 Rh1 63.60(3) . . ?
C2 Se2 Fe1 103.97(17) . . ?
C2 Se2 Rh1 102.21(17) . . ?
Fe1 Se2 Rh1 63.37(3) . . ?
C4 Fe1 C3 91.9(3) . . ?
C4 Fe1 C5 98.7(3) . . ?
C3 Fe1 C5 99.6(3) . . ?
C4 Fe1 Se1 86.1(2) . . ?
C3 Fe1 Se1 153.5(2) . . ?
C5 Fe1 Se1 106.8(2) . . ?
C4 Fe1 Se2 151.9(2) . . ?
C3 Fe1 Se2 86.3(2) . . ?
C5 Fe1 Se2 109.3(3) . . ?
Se1 Fe1 Se2 83.29(4) . . ?
C4 Fe1 Rh1 93.6(2) . . ?
C3 Fe1 Rh1 94.7(2) . . ?
C5 Fe1 Rh1 160.8(2) . . ?
Se1 Fe1 Rh1 59.14(3) . . ?
Se2 Fe1 Rh1 58.79(3) . . ?
O1 C3 Fe1 178.1(7) . . ?
O2 C4 Fe1 177.9(7) . . ?
O3 C5 Fe1 175.0(8) . . ?
C7 C6 C10 108.7(6) . . ?
C7 C6 C11 125.7(7) . . ?
C10 C6 C11 125.3(7) . . ?
C7 C6 Rh1 72.9(4) . . ?
C10 C6 Rh1 72.3(4) . . ?
C11 C6 Rh1 126.1(4) . . ?
C8 C7 C6 107.6(6) . . ?
C8 C7 C12 126.0(7) . . ?
C6 C7 C12 126.2(7) . . ?
C8 C7 Rh1 70.6(4) . . ?
C6 C7 Rh1 68.8(4) . . ?
C12 C7 Rh1 130.0(5) . . ?
C7 C8 C9 107.9(6) . . ?
C7 C8 C13 126.1(7) . . ?
C9 C8 C13 125.8(7) . . ?
C7 C8 Rh1 71.9(4) . . ?
C9 C8 Rh1 70.4(4) . . ?
C13 C8 Rh1 127.3(4) . . ?
C10 C9 C8 108.0(6) . . ?
C10 C9 C14 128.1(7) . . ?
C8 C9 C14 123.8(7) . . ?
C10 C9 Rh1 71.6(4) . . ?
C8 C9 Rh1 70.7(4) . . ?
C14 C9 Rh1 126.3(4) . . ?
C9 C10 C6 107.7(6) . . ?
C9 C10 C15 124.0(7) . . ?
C6 C10 C15 128.1(7) . . ?
C9 C10 Rh1 70.9(4) . . ?
C6 C10 Rh1 69.2(4) . . ?
C15 C10 Rh1 129.6(4) . . ?
C6 C11 H9A 109.5 . . ?
C6 C11 H9B 109.5 . . ?
H9A C11 H9B 109.5 . . ?
C6 C11 H9C 109.5 . . ?
H9A C11 H9C 109.5 . . ?
H9B C11 H9C 109.5 . . ?
C7 C12 H10A 109.5 . . ?
C7 C12 H10B 109.5 . . ?
H10A C12 H10B 109.5 . . ?
C7 C12 H10C 109.5 . . ?
H10A C12 H10C 109.5 . . ?
H10B C12 H10C 109.5 . . ?
C8 C13 H11A 109.5 . . ?
C8 C13 H11B 109.5 . . ?
H11A C13 H11B 109.5 . . ?
C8 C13 H11C 109.5 . . ?
H11A C13 H11C 109.5 . . ?
H11B C13 H11C 109.5 . . ?
C9 C14 H12A 109.5 . . ?
C9 C14 H12B 109.5 . . ?
H12A C14 H12B 109.5 . . ?
C9 C14 H12C 109.5 . . ?
H12A C14 H12C 109.5 . . ?
H12B C14 H12C 109.5 . . ?
C10 C15 H13A 109.5 . . ?
C10 C15 H13B 109.5 . . ?
H13A C15 H13B 109.5 . . ?
C10 C15 H13C 109.5 . . ?
H13A C15 H13C 109.5 . . ?
H13B C15 H13C 109.5 . . ?
C2 C1 B5 111.3(5) . . ?
C2 C1 B6 62.3(4) . . ?
B5 C1 B6 61.4(4) . . ?
C2 C1 B3 62.5(4) . . ?
B5 C1 B3 111.0(5) . . ?
B6 C1 B3 113.6(5) . . ?
C2 C1 B4 111.8(5) . . ?
B5 C1 B4 61.8(4) . . ?
B6 C1 B4 113.0(5) . . ?
B3 C1 B4 60.5(4) . . ?
C2 C1 Se1 114.7(4) . . ?
B5 C1 Se1 125.2(5) . . ?
B6 C1 Se1 118.9(4) . . ?
B3 C1 Se1 115.7(4) . . ?
B4 C1 Se1 121.6(4) . . ?
C1 C2 B7 111.2(5) . . ?
C1 C2 B6 61.9(4) . . ?
B7 C2 B6 112.3(5) . . ?
C1 C2 B11 111.4(5) . . ?
B7 C2 B11 62.6(4) . . ?
B6 C2 B11 61.1(4) . . ?
C1 C2 B3 61.9(4) . . ?
B7 C2 B3 60.7(4) . . ?
B6 C2 B3 112.8(5) . . ?
B11 C2 B3 112.2(5) . . ?
C1 C2 Se2 113.2(4) . . ?
B7 C2 Se2 124.8(5) . . ?
B6 C2 Se2 116.7(4) . . ?
B11 C2 Se2 124.4(4) . . ?
B3 C2 Se2 117.1(4) . . ?
B8 B3 C1 107.8(6) . . ?
B8 B3 C2 107.7(6) . . ?
C1 B3 C2 55.5(3) . . ?
B8 B3 B4 62.2(5) . . ?
C1 B3 B4 59.9(4) . . ?
C2 B3 B4 105.7(5) . . ?
B8 B3 B7 62.3(5) . . ?
C1 B3 B7 104.5(6) . . ?
C2 B3 B7 59.0(4) . . ?
B4 B3 B7 111.2(6) . . ?
B8 B3 H1 129(3) . . ?
C1 B3 H1 116(3) . . ?
C2 B3 H1 118(2) . . ?
B4 B3 H1 121(3) . . ?
B7 B3 H1 125(3) . . ?
C1 B4 B3 59.6(4) . . ?
C1 B4 B5 58.4(4) . . ?
B3 B4 B5 107.5(6) . . ?
C1 B4 B9 104.6(5) . . ?
B3 B4 B9 106.4(6) . . ?
B5 B4 B9 59.9(4) . . ?
C1 B4 B8 104.5(5) . . ?
B3 B4 B8 58.2(5) . . ?
B5 B4 B8 107.5(6) . . ?
B9 B4 B8 59.9(4) . . ?
C1 B4 H2 114(2) . . ?
B3 B4 H2 116(2) . . ?
B5 B4 H2 120(2) . . ?
B9 B4 H2 133(2) . . ?
B8 B4 H2 130(2) . . ?
C1 B5 B6 59.6(4) . . ?
C1 B5 B10 105.0(6) . . ?
B6 B5 B10 58.8(5) . . ?
C1 B5 B9 105.9(6) . . ?
B6 B5 B9 108.6(6) . . ?
B10 B5 B9 61.2(5) . . ?
C1 B5 B4 59.8(4) . . ?
B6 B5 B4 109.7(6) . . ?
B10 B5 B4 109.4(6) . . ?
B9 B5 B4 60.2(5) . . ?
C1 B5 H3 115(2) . . ?
B6 B5 H3 114(2) . . ?
B10 B5 H3 126(2) . . ?
B9 B5 H3 131(2) . . ?
B4 B5 H3 122(2) . . ?
C1 B6 B10 106.1(6) . . ?
C1 B6 C2 55.9(3) . . ?
B10 B6 C2 106.2(6) . . ?
C1 B6 B5 59.0(4) . . ?
B10 B6 B5 60.8(4) . . ?
C2 B6 B5 104.2(5) . . ?
C1 B6 B11 105.3(5) . . ?
B10 B6 B11 61.5(5) . . ?
C2 B6 B11 59.5(4) . . ?
B5 B6 B11 109.7(6) . . ?
C1 B6 H4 123(2) . . ?
B10 B6 H4 126(2) . . ?
C2 B6 H4 120(2) . . ?
B5 B6 H4 125(2) . . ?
B11 B6 H4 120(2) . . ?
C2 B7 B3 60.3(4) . . ?
C2 B7 B12 104.8(6) . . ?
B3 B7 B12 106.8(6) . . ?
C2 B7 B11 59.1(4) . . ?
B3 B7 B11 109.0(6) . . ?
B12 B7 B11 59.8(5) . . ?
C2 B7 B8 105.5(6) . . ?
B3 B7 B8 58.1(5) . . ?
B12 B7 B8 60.8(5) . . ?
B11 B7 B8 109.1(6) . . ?
C2 B7 H5 118(3) . . ?
B3 B7 H5 123(3) . . ?
B12 B7 H5 125(3) . . ?
B11 B7 H5 115(3) . . ?
B8 B7 H5 129(3) . . ?
B3 B8 B9 107.3(6) . . ?
B3 B8 B4 59.6(4) . . ?
B9 B8 B4 59.7(5) . . ?
B3 B8 B7 59.6(4) . . ?
B9 B8 B7 107.3(6) . . ?
B4 B8 B7 107.0(6) . . ?
B3 B8 B12 106.5(6) . . ?
B9 B8 B12 60.2(5) . . ?
B4 B8 B12 107.1(6) . . ?
B7 B8 B12 58.9(5) . . ?
B3 B8 H6 123(2) . . ?
B9 B8 H6 117(2) . . ?
B4 B8 H6 116(2) . . ?
B7 B8 H6 129(2) . . ?
B12 B8 H6 126(2) . . ?
B5 B9 B4 59.9(4) . . ?
B5 B9 B8 107.9(6) . . ?
B4 B9 B8 60.4(4) . . ?
B5 B9 B12 106.1(6) . . ?
B4 B9 B12 107.9(6) . . ?
B8 B9 B12 60.5(5) . . ?
B5 B9 B10 59.1(4) . . ?
B4 B9 B10 107.4(6) . . ?
B8 B9 B10 107.9(6) . . ?
B12 B9 B10 58.9(5) . . ?
B5 B9 H7 126(3) . . ?
B4 B9 H7 128(3) . . ?
B8 B9 H7 121(3) . . ?
B12 B9 H7 116(3) . . ?
B10 B9 H7 118(3) . . ?
B6 B10 B5 60.4(5) . . ?
B6 B10 B12 108.2(7) . . ?
B5 B10 B12 107.8(7) . . ?
B6 B10 B11 60.2(5) . . ?
B5 B10 B11 108.4(6) . . ?
B12 B10 B11 60.0(5) . . ?
B6 B10 B9 108.7(6) . . ?
B5 B10 B9 59.7(5) . . ?
B12 B10 B9 60.5(5) . . ?
B11 B10 B9 108.9(7) . . ?
B6 B10 H8 114(3) . . ?
B5 B10 H8 129(3) . . ?
B12 B10 H8 120(3) . . ?
B11 B10 H8 109(3) . . ?
B9 B10 H8 133(3) . . ?
C2 B11 B6 59.4(4) . . ?
C2 B11 B12 104.0(6) . . ?
B6 B11 B12 106.4(6) . . ?
C2 B11 B10 103.7(6) . . ?
B6 B11 B10 58.3(4) . . ?
B12 B11 B10 59.7(5) . . ?
C2 B11 B7 58.3(4) . . ?
B6 B11 B7 107.5(6) . . ?
B12 B11 B7 59.5(5) . . ?
B10 B11 B7 106.8(7) . . ?
C2 B11 H9 112(3) . . ?
B6 B11 H9 118(3) . . ?
B12 B11 H9 133(2) . . ?
B10 B11 H9 134(3) . . ?
B7 B11 H9 117(3) . . ?
B7 B12 B10 108.2(6) . . ?
B7 B12 B11 60.7(5) . . ?
B10 B12 B11 60.3(5) . . ?
B7 B12 B9 107.7(6) . . ?
B10 B12 B9 60.6(5) . . ?
B11 B12 B9 109.2(6) . . ?
B7 B12 B8 60.3(5) . . ?
B10 B12 B8 108.2(6) . . ?
B11 B12 B8 109.5(6) . . ?
B9 B12 B8 59.3(5) . . ?
B7 B12 H10 110(3) . . ?
B10 B12 H10 125(3) . . ?
B11 B12 H10 109(3) . . ?
B9 B12 H10 135(3) . . ?
B8 B12 H10 125(3) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 C6 2.144(6) . ?
Rh1 C9 2.176(6) . ?
Rh1 C8 2.180(6) . ?
Rh1 C10 2.186(6) . ?
Rh1 C7 2.198(6) . ?
Rh1 Se2 2.4397(10) . ?
Rh1 Se1 2.4439(10) . ?
Rh1 Fe1 2.5500(11) . ?
Se1 C1 1.959(6) . ?
Se1 Fe1 2.3945(12) . ?
Se2 C2 1.959(6) . ?
Se2 Fe1 2.4148(13) . ?
Fe1 C4 1.722(7) . ?
Fe1 C3 1.733(7) . ?
Fe1 C5 1.803(7) . ?
O1 C3 1.163(6) . ?
O2 C4 1.182(7) . ?
O3 C5 1.135(7) . ?
C6 C7 1.425(8) . ?
C6 C10 1.428(8) . ?
C6 C11 1.478(8) . ?
C7 C8 1.408(9) . ?
C7 C12 1.494(7) . ?
C8 C9 1.453(8) . ?
C8 C13 1.514(7) . ?
C9 C10 1.402(8) . ?
C9 C14 1.511(8) . ?
C10 C15 1.501(7) . ?
C11 H9A 0.9600 . ?
C11 H9B 0.9600 . ?
C11 H9C 0.9600 . ?
C12 H10A 0.9600 . ?
C12 H10B 0.9600 . ?
C12 H10C 0.9600 . ?
C13 H11A 0.9600 . ?
C13 H11B 0.9600 . ?
C13 H11C 0.9600 . ?
C14 H12A 0.9600 . ?
C14 H12B 0.9600 . ?
C14 H12C 0.9600 . ?
C15 H13A 0.9600 . ?
C15 H13B 0.9600 . ?
C15 H13C 0.9600 . ?
C1 C2 1.606(7) . ?
C1 B5 1.700(9) . ?
C1 B6 1.711(9) . ?
C1 B3 1.719(9) . ?
C1 B4 1.725(8) . ?
C2 B7 1.706(9) . ?
C2 B6 1.718(9) . ?
C2 B11 1.720(9) . ?
C2 B3 1.728(9) . ?
B3 B8 1.709(11) . ?
B3 B4 1.734(10) . ?
B3 B7 1.736(11) . ?
B3 H1 1.02(4) . ?
B4 B5 1.760(10) . ?
B4 B9 1.765(11) . ?
B4 B8 1.778(11) . ?
B4 H2 1.19(5) . ?
B5 B6 1.743(10) . ?
B5 B10 1.748(11) . ?
B5 B9 1.760(10) . ?
B5 H3 1.02(4) . ?
B6 B10 1.714(11) . ?
B6 B11 1.748(10) . ?
B6 H4 1.07(4) . ?
B7 B12 1.757(12) . ?
B7 B11 1.779(11) . ?
B7 B8 1.783(11) . ?
B7 H5 1.02(4) . ?
B8 B9 1.768(10) . ?
B8 B12 1.791(12) . ?
B8 H6 1.16(4) . ?
B9 B12 1.786(11) . ?
B9 B10 1.787(11) . ?
B9 H7 1.10(5) . ?
B10 B12 1.758(12) . ?
B10 B11 1.769(12) . ?
B10 H8 1.02(4) . ?
B11 B12 1.763(11) . ?
B11 H9 1.16(4) . ?
B12 H10 1.07(5) . ?
